Vio Chemicals

4fluorophenol

Chemistry, 11 End Use API, 19 Related Intermediates

Manufacturers/Suppliers

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11 Suppliers

Also known as: 371-41-5, P-fluorophenol, Phenol, 4-fluoro-, Phenol, p-fluoro-, 4-fluoro phenol, 4-fluoro-phenol

Molecular Formula

C₆H₅FO

Molecular Weight

112.10 g/mol

InChI Key

RHMPLDJJXGPMEX-UHFFFAOYSA-N

FDA UNII

K6DT6TR5E5

1 2D Structure

4fluorophenol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluorophenol

2.1.2 InChI

InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H

2.1.3 InChI Key

RHMPLDJJXGPMEX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1O)F

2.2 Other Identifiers

2.2.1 UNII

K6DT6TR5E5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-fluorophenol

2.3.2 Depositor-Supplied Synonyms

1. 371-41-5

2. P-fluorophenol

3. Phenol, 4-fluoro-

4. Phenol, P-fluoro-

5. 4-fluoro Phenol

6. 4-fluoro-phenol

7. Mfcd00002316

8. K6dt6tr5e5

9. Nsc-10295

10. Phenol, 4-fluoro

11. Para-fluorophenol

12. Fpn

13. Ccris 665

14. Einecs 206-736-0

15. Nsc 10295

16. Brn 1362752

17. 4fluorophenol

18. P-fluoro Phenol

19. P-fluoro-phenol

20. 4-flourophenol

21. 4fluoro Phenol

22. 4-flurophenol

23. 4-fluoranylphenol

24. 4-fluorophenol, 99%

25. Fluorophenol, 4-

26. Unii-k6dt6tr5e5

27. Ec 206-736-0

28. Schembl78213

29. 4-06-00-00773 (beilstein Handbook Reference)

30. 4-hydroxyphenyl Fluoride

31. Dtxsid0052047

32. Chebi:42533

33. Zinc164463

34. Nsc10295

35. Stl183322

36. Akos000119023

37. Ccg-302492

38. Cs-w008731

39. Ps-9253

40. Db-028894

41. Am20040308

42. F0160

43. Ft-0618549

44. A823540

45. W-200550

46. Q27460393

47. F0001-1065

48. Z1262246108

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅FO
Molecular Weight	112.10 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.032442941 g/mol
Monoisotopic Mass	112.032442941 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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CAS Number

129050-26-6

End Use API

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